N-[3-(azepane-1-carbonyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-[3-(azepane-1-carbonyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
N-[3-(azepane-1-carbonyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0146 |
| Compound Name: | N-[3-(azepane-1-carbonyl)phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | C1CCCN(CC1)C(c1cccc(c1)NC(c1nnc(COc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8758 |
| logD: | 3.8757 |
| logSw: | -4.0024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.536 |
| InChI Key: | DBGOYYHDRYKSIV-UHFFFAOYSA-N |